methyl 3-(1H-indol-3-yl)-2-(trifluoroacetamido)propanoate
TL;DR: methyl 3-(1H-indol-3-yl)-2-(trifluoroacetamido)propanoate (CAS 1604-49-5) is a chemical compound with molecular formula C14H13F3N2O3 and molecular weight 314.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(1H-indol-3-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate
Also Known As: Tryptophan, N-TFA-, methyl ester, Methyl N-(trifluoroacetyl)tryptophanate, Tryptophan, N-trifluoroacetyl-, methyl ester, methyl 3-(1H-indol-3-yl)-2-(trifluoroacetamido)propanoate, tryptophan, N-(trifluoroacetyl)-, methyl ester
| Molecular Formula | C14H13F3N2O3 |
|---|---|
| Molecular Weight | 314.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 71.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.08783 |
| Heavy Atoms | 22 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 1604-49-5 |
|---|---|
| SMILES | COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(F)(F)F |
| InChIKey | FRCDVDBVNOWDDM-UHFFFAOYSA-N |
Product Overview
methyl 3-(1H-indol-3-yl)-2-(trifluoroacetamido)propanoate (CAS 1604-49-5), with molecular formula C14H13F3N2O3 and molecular weight 314.09 g/mol. IUPAC: methyl 3-(1H-indol-3-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate.
Chemical Property Profile of methyl 3-(1H-indol-3-yl)-2-(trifluoroacetamido)propanoate
Property Insights of methyl 3-(1H-indol-3-yl)-2-(trifluoroacetamido)propanoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-(1H-indol-3-yl)-2-(trifluoroacetamido)propanoate. The TPSA of 71.2 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-(1H-indol-3-yl)-2-(trifluoroacetamido)propanoate. Following Lipinski's Rule of Five, methyl 3-(1H-indol-3-yl)-2-(trifluoroacetamido)propanoate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 3-(1H-indol-3-yl)-2-(trifluoroacetamido)propanoate?
The CAS number of methyl 3-(1H-indol-3-yl)-2-(trifluoroacetamido)propanoate is 1604-49-5.
What is the molecular formula of methyl 3-(1H-indol-3-yl)-2-(trifluoroacetamido)propanoate?
The molecular formula of methyl 3-(1H-indol-3-yl)-2-(trifluoroacetamido)propanoate is C14H13F3N2O3.
What is the molecular weight of methyl 3-(1H-indol-3-yl)-2-(trifluoroacetamido)propanoate?
The molecular weight of methyl 3-(1H-indol-3-yl)-2-(trifluoroacetamido)propanoate is 314.09 g/mol.
Where can I buy methyl 3-(1H-indol-3-yl)-2-(trifluoroacetamido)propanoate?
You can request a quote for methyl 3-(1H-indol-3-yl)-2-(trifluoroacetamido)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-(1H-indol-3-yl)-2-(trifluoroacetamido)propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-(1H-indol-3-yl)-2-(trifluoroacetamido)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.